N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C17H14BrFN2O4S — CID 21006949

IUPACN-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)C1=O
InChIInChI=1S/C17H14BrFN2O4S/c1-10-9-26(24,25)21(17(10)23)13-5-2-11(3-6-13)16(22)20-15-7-4-12(18)8-14(15)19/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyOIPGLEGAGQBYAL-UHFFFAOYSA-N
MW441.28 g/mol
LogP3.15
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21006949) has the molecular formula C17H14BrFN2O4S and a molecular weight of 441.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21006949
Molecular FormulaC17H14BrFN2O4S
Molecular Weight441.28 g/mol
Exact Mass439.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)C1=O
InChIInChI=1S/C17H14BrFN2O4S/c1-10-9-26(24,25)21(17(10)23)13-5-2-11(3-6-13)16(22)20-15-7-4-12(18)8-14(15)19/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyOIPGLEGAGQBYAL-UHFFFAOYSA-N
XLogP3.15
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824391
N-(2,4-dimethylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824288
N-(4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996699
N-(4-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824350
N-(2,4-dimethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996721
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996707
N-(3-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349780
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006967
N-(2-methoxy-5-methylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996717
N-(2-tert-butylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824340
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide
CID 26824324
N-(3-acetamidophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824444

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21006949) is N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)C1=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is OIPGLEGAGQBYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O4S/c1-10-9-26(24,25)21(17(10)23)13-5-2-11(3-6-13)16(22)20-15-7-4-12(18)8-14(15)19/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 441.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21006949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).